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SMILES: CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O

InChI Key: InChIKey=VLMJSBZOGGFEED-JDFSLKTNSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50134945   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50134945
PNG
(CHEMBL438030 | H-Tyr-Val-Nle-Gly-His-Phe-Arg-Trp-A...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C75H102N22O15/c1-4-5-21-52(92-73(112)63(42(2)3)97-64(103)50(76)31-45-25-27-48(98)28-26-45)65(104)87-40-61(100)89-58(35-47-38-82-41-88-47)71(110)94-56(33-44-18-10-7-11-19-44)69(108)90-54(24-15-30-84-75(80)81)68(107)95-57(34-46-37-85-51-22-13-12-20-49(46)51)70(109)96-59(36-62(101)102)72(111)91-53(23-14-29-83-74(78)79)67(106)93-55(66(105)86-39-60(77)99)32-43-16-8-6-9-17-43/h6-13,16-20,22,25-28,37-38,41-42,50,52-59,63,85,98H,4-5,14-15,21,23-24,29-36,39-40,76H2,1-3H3,(H2,77,99)(H,82,88)(H,86,105)(H,87,104)(H,89,100)(H,90,108)(H,91,111)(H,92,112)(H,93,106)(H,94,110)(H,95,107)(H,96,109)(H,97,103)(H,101,102)(H4,78,79,83)(H4,80,81,84)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
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 43n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.

J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134945
PNG
(CHEMBL438030 | H-Tyr-Val-Nle-Gly-His-Phe-Arg-Trp-A...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C75H102N22O15/c1-4-5-21-52(92-73(112)63(42(2)3)97-64(103)50(76)31-45-25-27-48(98)28-26-45)65(104)87-40-61(100)89-58(35-47-38-82-41-88-47)71(110)94-56(33-44-18-10-7-11-19-44)69(108)90-54(24-15-30-84-75(80)81)68(107)95-57(34-46-37-85-51-22-13-12-20-49(46)51)70(109)96-59(36-62(101)102)72(111)91-53(23-14-29-83-74(78)79)67(106)93-55(66(105)86-39-60(77)99)32-43-16-8-6-9-17-43/h6-13,16-20,22,25-28,37-38,41-42,50,52-59,63,85,98H,4-5,14-15,21,23-24,29-36,39-40,76H2,1-3H3,(H2,77,99)(H,82,88)(H,86,105)(H,87,104)(H,89,100)(H,90,108)(H,91,111)(H,92,112)(H,93,106)(H,94,110)(H,95,107)(H,96,109)(H,97,103)(H,101,102)(H4,78,79,83)(H4,80,81,84)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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 62n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.

J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50134945
PNG
(CHEMBL438030 | H-Tyr-Val-Nle-Gly-His-Phe-Arg-Trp-A...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C75H102N22O15/c1-4-5-21-52(92-73(112)63(42(2)3)97-64(103)50(76)31-45-25-27-48(98)28-26-45)65(104)87-40-61(100)89-58(35-47-38-82-41-88-47)71(110)94-56(33-44-18-10-7-11-19-44)69(108)90-54(24-15-30-84-75(80)81)68(107)95-57(34-46-37-85-51-22-13-12-20-49(46)51)70(109)96-59(36-62(101)102)72(111)91-53(23-14-29-83-74(78)79)67(106)93-55(66(105)86-39-60(77)99)32-43-16-8-6-9-17-43/h6-13,16-20,22,25-28,37-38,41-42,50,52-59,63,85,98H,4-5,14-15,21,23-24,29-36,39-40,76H2,1-3H3,(H2,77,99)(H,82,88)(H,86,105)(H,87,104)(H,89,100)(H,90,108)(H,91,111)(H,92,112)(H,93,106)(H,94,110)(H,95,107)(H,96,109)(H,97,103)(H,101,102)(H4,78,79,83)(H4,80,81,84)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
UniProtKB/SwissProt

antibodypedia
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CHEMBL
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 190n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.

J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134945
PNG
(CHEMBL438030 | H-Tyr-Val-Nle-Gly-His-Phe-Arg-Trp-A...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C75H102N22O15/c1-4-5-21-52(92-73(112)63(42(2)3)97-64(103)50(76)31-45-25-27-48(98)28-26-45)65(104)87-40-61(100)89-58(35-47-38-82-41-88-47)71(110)94-56(33-44-18-10-7-11-19-44)69(108)90-54(24-15-30-84-75(80)81)68(107)95-57(34-46-37-85-51-22-13-12-20-49(46)51)70(109)96-59(36-62(101)102)72(111)91-53(23-14-29-83-74(78)79)67(106)93-55(66(105)86-39-60(77)99)32-43-16-8-6-9-17-43/h6-13,16-20,22,25-28,37-38,41-42,50,52-59,63,85,98H,4-5,14-15,21,23-24,29-36,39-40,76H2,1-3H3,(H2,77,99)(H,82,88)(H,86,105)(H,87,104)(H,89,100)(H,90,108)(H,91,111)(H,92,112)(H,93,106)(H,94,110)(H,95,107)(H,96,109)(H,97,103)(H,101,102)(H4,78,79,83)(H4,80,81,84)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PubMed
n/an/an/an/a 34n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Intracellular cAMP accumulation in Melanocortin 4 receptor functional assay.

J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50134945
PNG
(CHEMBL438030 | H-Tyr-Val-Nle-Gly-His-Phe-Arg-Trp-A...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C75H102N22O15/c1-4-5-21-52(92-73(112)63(42(2)3)97-64(103)50(76)31-45-25-27-48(98)28-26-45)65(104)87-40-61(100)89-58(35-47-38-82-41-88-47)71(110)94-56(33-44-18-10-7-11-19-44)69(108)90-54(24-15-30-84-75(80)81)68(107)95-57(34-46-37-85-51-22-13-12-20-49(46)51)70(109)96-59(36-62(101)102)72(111)91-53(23-14-29-83-74(78)79)67(106)93-55(66(105)86-39-60(77)99)32-43-16-8-6-9-17-43/h6-13,16-20,22,25-28,37-38,41-42,50,52-59,63,85,98H,4-5,14-15,21,23-24,29-36,39-40,76H2,1-3H3,(H2,77,99)(H,82,88)(H,86,105)(H,87,104)(H,89,100)(H,90,108)(H,91,111)(H,92,112)(H,93,106)(H,94,110)(H,95,107)(H,96,109)(H,97,103)(H,101,102)(H4,78,79,83)(H4,80,81,84)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Intracellular cAMP accumulation in human Melanocortin 3 receptor functional assay.

J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50134945
PNG
(CHEMBL438030 | H-Tyr-Val-Nle-Gly-His-Phe-Arg-Trp-A...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C75H102N22O15/c1-4-5-21-52(92-73(112)63(42(2)3)97-64(103)50(76)31-45-25-27-48(98)28-26-45)65(104)87-40-61(100)89-58(35-47-38-82-41-88-47)71(110)94-56(33-44-18-10-7-11-19-44)69(108)90-54(24-15-30-84-75(80)81)68(107)95-57(34-46-37-85-51-22-13-12-20-49(46)51)70(109)96-59(36-62(101)102)72(111)91-53(23-14-29-83-74(78)79)67(106)93-55(66(105)86-39-60(77)99)32-43-16-8-6-9-17-43/h6-13,16-20,22,25-28,37-38,41-42,50,52-59,63,85,98H,4-5,14-15,21,23-24,29-36,39-40,76H2,1-3H3,(H2,77,99)(H,82,88)(H,86,105)(H,87,104)(H,89,100)(H,90,108)(H,91,111)(H,92,112)(H,93,106)(H,94,110)(H,95,107)(H,96,109)(H,97,103)(H,101,102)(H4,78,79,83)(H4,80,81,84)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
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UniChem

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Article
PubMed
n/an/an/an/a 99n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Intracellular cAMP accumulation in human Melanocortin 5 receptor functional assay.

J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair